SCHEMBL6579159

SCHEMBL6579159

COC(=O)CC(CCO)c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.54
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CRHBP P24387 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
CRHR2 Q13324 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
F2 P00734 2/20 0.39
F10 P00742 2/20 0.39
HPGD P15428 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6578974 0.89 ALDH1A1 (0.60) HTTALDH1A1MAPTLMNAGAA
SCHEMBL18110925 0.84 HTT (0.56) HTTALDH1A1MAPTLMNAGAA
SCHEMBL1811944 0.84 ALDH1A1 (0.55) ALDH1A1KMT2AF2F10HPGD
SCHEMBL28044957 0.84 ALDH1A1 (0.55) ALDH1A1KMT2AF2F10HPGD
SCHEMBL6581023 0.83 ALDH1A1 (0.55) HTTALDH1A1MAPTLMNAGAA
SCHEMBL6581305 0.83 ALDH1A1 (0.55) HTTALDH1A1MAPTLMNAGAA
SCHEMBL6581020 0.83 ALDH1A1 (0.55) HTTALDH1A1MAPTLMNAGAA
SCHEMBL18110789 0.83 ALDH1A1 (0.55) HTTALDH1A1MAPTLMNAGAA
SCHEMBL6780687 0.80 FNTA (0.48) LMNAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL19190383 0.78 ALDH1A1 (0.50) HTTALDH1A1MAPTLMNAGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0986389-B1 NOVEL PROCESS SMITHKLINE BEECHAM CORP (US) 2004-10-13 EP disclosed
US-20040147754-A1 Novel process SMITHKLINE BEECHAM PLC 2004-07-29 US disclosed
US-6716985-B2 ALCOHOLISM, PSYCHOLOGICAL DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2004-04-06 US disclosed
US-6489347-B1 NOVEL INTERMEDIATE CARBOXALDEHYDES FOR PHARMACEUTICAL PRODUCTS WITH ANTIDEPRESSANT AND ANTI-PARKINSON PROPERTIES SMITHKLINE BEECHAM PLC (GB) 2002-12-03 US disclosed
US-20020133011-A1 Novel process SMITHKLINE BEECHAM PLC 2002-09-19 US disclosed
EP-0986389-A4 NOVEL PROCESS SMITHKLINE BEECHAM CORP (US) 2001-09-12 EP disclosed
EP-0986389-A1 NOVEL PROCESS SMITHKLINE BEECHAM CORPORATION (US) 2000-03-22 EP disclosed
WO-1998053824-A1 NOVEL PROCESS SMITHKLINE BEECHAM CORPORATION (US) 1998-12-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020133011-A1 Novel process HTR1A, HTR4, MAOA HTT 941/4885ALDH1A1 900/4885MAPT 1827/4885
US-20040147754-A1 Novel process HTR1A, HTR4, HTR2B HTT 1281/4885ALDH1A1 1013/4885MAPT 2512/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.